SCHEMBL7296144

SCHEMBL7296144

CCN(C(=O)OCc1ccccc1)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(=N)NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.43
PLG P00747 1/20 0.43
CTRB1 P17538 1/20 0.42
CASP1 P29466 2/20 0.40
PRCP P42785 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
CMA1 P23946 1/20 0.38
REN P00797 1/20 0.38
ACE P12821 2/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
PRSS1 P07477 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
CYP3A4 P08684 2/20 0.36
PREP P48147 2/20 0.36
MASP2 O00187 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7295927 0.82 F2 (0.49) F2PLGCTRB1CASP1PRCP
SCHEMBL7295597 0.82 F2 (0.48) F2PLGCTRB1CASP1CMA1
SCHEMBL7302872 0.80 ACE (0.44) F2PLGCTRB1CASP1PRCP
SCHEMBL7294595 0.80 KMT2A (0.45) F2PLGCTRB1CASP1PRCP
SCHEMBL10725371 0.78 F2 (0.54) F2PLGCTRB1PRSS1
SCHEMBL7298055 0.78 F2 (0.61) F2PLGCTRB1CASP1PRCP
SCHEMBL7297974 0.77 ACE (0.42) F2PLGCTRB1CASP1PRCP
SCHEMBL7304387 0.77 ACE (0.46) F2PLGCTRB1CASP1PRCP
SCHEMBL7264615 0.76 ACE (0.52) CTRB1ACEACE2SMN1; SMN2
Sulfuric Acid SCHEMBL7266302 0.76 F2 (0.51) F2PLGPRSS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185390-A2 Tripeptidyl-argininaldehyde, process for its preparation and medicaments thereof, as well as N-(monoalkyl) and N,N-di-(alkyl)-Xxx-L-proline dipeptide RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-06-25 EP disclosed